1-(1-benzylsulfonylazetidin-2-yl)-3-pyridin-2-ylpropan-1-one

C18H20N2O3S — CID 23546132

IUPAC1-(1-benzylsulfonylazetidin-2-yl)-3-pyridin-2-ylpropan-1-one
SMILESO=C(CCc1ccccn1)C1CCN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-18(10-9-16-8-4-5-12-19-16)17-11-13-20(17)24(22,23)14-15-6-2-1-3-7-15/h1-8,12,17H,9-11,13-14H2
InChIKeyQIVOIJDGHPNYIX-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.19
Rot. Bonds7

About 1-(1-benzylsulfonylazetidin-2-yl)-3-pyridin-2-ylpropan-1-one

1-(1-benzylsulfonylazetidin-2-yl)-3-pyridin-2-ylpropan-1-one (PubChem CID 23546132) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(1-benzylsulfonylazetidin-2-yl)-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-benzylsulfonylazetidin-2-yl)-3-pyridin-2-ylpropan-1-one
PubChem CID23546132
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-(1-benzylsulfonylazetidin-2-yl)-3-pyridin-2-ylpropan-1-one
SMILESO=C(CCc1ccccn1)C1CCN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-18(10-9-16-8-4-5-12-19-16)17-11-13-20(17)24(22,23)14-15-6-2-1-3-7-15/h1-8,12,17H,9-11,13-14H2
InChIKeyQIVOIJDGHPNYIX-UHFFFAOYSA-N
XLogP2.19
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzylsulfonylazetidin-2-yl)-3-pyridin-2-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzylsulfonyl-N'-pyridin-2-ylazetidine-2-carbohydrazide
CID 23546139
(2S)-1-benzylsulfonylpyrrolidine-2-carboxylic acid
CID 10199278
methyl 1-(2-pyridin-2-ylethylsulfonyl)pyrrolidine-2-carboxylate
CID 60865617
(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 81453761
(3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 1445005
2-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylic acid
CID 106742336
1-benzylsulfonyl-4-ethylpiperidine-2-carboxylic acid
CID 114427399
(2R,4R)-4-hydroxy-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 79000801
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
methyl (2S)-1-benzylsulfonylazetidine-2-carboxylate;methyl cyclobutanecarboxylate;phenylmethanesulfonyl chloride
CID 160610027
(1-benzylsulfonylpyrrolidin-2-yl)-(3,4-dimethylphenyl)methanone
CID 110601798

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylsulfonylazetidin-2-yl)-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(1-benzylsulfonylazetidin-2-yl)-3-pyridin-2-ylpropan-1-one (CID 23546132) is 1-(1-benzylsulfonylazetidin-2-yl)-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(1-benzylsulfonylazetidin-2-yl)-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(1-benzylsulfonylazetidin-2-yl)-3-pyridin-2-ylpropan-1-one is O=C(CCc1ccccn1)C1CCN1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 1-(1-benzylsulfonylazetidin-2-yl)-3-pyridin-2-ylpropan-1-one?
The InChIKey is QIVOIJDGHPNYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-18(10-9-16-8-4-5-12-19-16)17-11-13-20(17)24(22,23)14-15-6-2-1-3-7-15/h1-8,12,17H,9-11,13-14H2.
What are the key properties of 1-(1-benzylsulfonylazetidin-2-yl)-3-pyridin-2-ylpropan-1-one?
1-(1-benzylsulfonylazetidin-2-yl)-3-pyridin-2-ylpropan-1-one has a molecular weight of 344.44 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylsulfonylazetidin-2-yl)-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 23546132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).